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Vitas-M small molecule compound

(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl 4-[(4-methoxybenzyl)amino]-4-oxobutanoate

Catalog ID
STL002703
SMILES COc1ccc(cc1)CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C33H43NO7 MW 565.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43NO7/c1-31-15-12-23(35)18-22(31)6-9-25-26(31)13-16-32(2)27(25)14-17-33(32,39)28(36)20-41-30(38)11-10-29(37)34-19-21-4-7-24(40-3)8-5-21/h4-5,7-8,18,25-27,39H,6,9-17,19-20H2,1-3H3,(H,34,37)/t25?,26?,27?,31-,32-,33-/m0/s1
InChIKey
DWMAXTHVPVLOMZ-RFSZYQAGSA-N
Synonyms

(2((10R13S17R)17hydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl)4((4methoxyphenyl)methylamino)4oxobutanoate
(8XI9XI14XI)17HYDROXY320DIOXOPREGN4EN21YL4((4METHOXYBENZYL)AMINO)4OXOBUTANOATE
2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((4methoxybenzyl)amino)4oxobutanoate
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)COC(=O)CCC(=O)NCC5=CC=C(C=C5)OC)O)C
COc1ccc(cc1)CNC(=O)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
COc1ccc(cc1)CNC(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
InChI=1SC33H43NO7c131151223(35)1822(31)692526(31)131632(2)27(25)141733(3239)28(36)204130(38)111029(37)3419214724(403)8521h457818252739H69171920H213H3(H3437)t25?26?27?313233m0s1
MFCD07200587
ZINC000253502408
ZINC000253502424

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Available files

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