Vitas-M small molecule compound

methyl 2-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STK421836
SMILES COC(=O)c1c(NC(=O)c2cc(OC)c(c(c2)OC)OC)sc2c1CCCCCC2

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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 C22H27NO6S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO6S/c1-26-15-11-13(12-16(27-2)19(15)28-3)20(24)23-21-18(22(25)29-4)14-9-7-5-6-8-10-17(14)30-21/h11-12H,5-10H2,1-4H3,(H,23,24)
InChIKey
SOMNXGTVRSKXKS-UHFFFAOYSA-N
Synonyms
353470-04-9
353470049
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC
InChI=1SC22H27NO6Sc126151113(1216(272)19(15)283)20(24)232118(22(25)294)14975681017(14)3021h1112H510H214H3(H2324)
methyl2(((345trimethoxyphenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
METHYL2((345TRIMETHOXYBENZENE)AMIDO)4H5H6H7H8H9HCYCLOOCTA(B)THIOPHENE3CARBOXYLATE
methyl2((345trimethoxybenzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01339395
ZINC000002081336
ZINC02081336
ZINC2081336

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Available files

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