Vitas-M small molecule compound
4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1,3-benzodioxol-5-ylmethyl)butanamide
Catalog ID
STL551514
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)NCc1ccc2c(c1)OCO2)NC(=O)C
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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/c1-19(37)36-24-10-8-21-15-29(40-2)32(41-3)33(42-4)31(21)22-9-11-25(26(38)16-23(22)24)34-13-5-6-30(39)35-17-20-7-12-27-28(14-20)44-18-43-27/h7,9,11-12,14-16,24H,5-6,8,10,13,17-18H2,1-4H3,(H,34,38)(H,35,39)(H,36,37)/t24-/m0/s1InChIKey
PQOCSSYRLUIAGG-DEOSSOPVSA-NSynonyms
(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(benzo(d)(13)dioxol5ylmethyl)butanamide
127253389
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(13benzodioxol5ylmethyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(13benzodioxol5ylmethyl)butanamide
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)NCc1ccc2c(c1)OCO2)NC(=O)C
InChI=1SC33H37N3O8c119(37)3624108211529(402)32(413)33(424)31(21)2291125(26(38)1623(22)24)34135630(39)3517207122728(1420)44184327h791112141624H56810131718H214H3(H3438)(H3539)(H3637)t24m0s1
ZINC000604405539
ZINC604405539
Check stock
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Check stock on Vitas-MAvailable files
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