Vitas-M small molecule compound

N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-alanyl-L-phenylalanine

Catalog ID
STL547977
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N[C@H](C(=O)O)Cc2ccccc2)C)NC(=O)C)cc(c1OC)OC

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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 C33H37N3O8 MW 603.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37N3O8/c1-18(32(39)36-26(33(40)41)15-20-9-7-6-8-10-20)34-25-14-12-22-23(17-27(25)38)24(35-19(2)37)13-11-21-16-28(42-3)30(43-4)31(44-5)29(21)22/h6-10,12,14,16-18,24,26H,11,13,15H2,1-5H3,(H,34,38)(H,35,37)(H,36,39)(H,40,41)/t18-,24-,26-/m0/s1
InChIKey
MPTGKFCKBVZPBD-SQOVJYTMSA-N
Synonyms

(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanoyl)amino)3phenylpropanoicacid
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamido)3phenylpropanoicacid
110207839
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N(C@H)(C(=O)O)Cc2ccccc2)C)NC(=O)C)cc(c1OC)OC
InChI=1SC33H37N3O8c118(32(39)3626(33(40)41)152097681020)342514122223(1727(25)38)24(3519(2)37)1311211628(423)30(434)31(445)29(21)22h610121416182426H111315H215H3(H3438)(H3537)(H3639)(H4041)t182426m0s1
N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LalanylLphenylalanine
ZINC000253409935
ZINC253409935

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Available files

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