Vitas-M small molecule compound

methyl 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK446806
SMILES COc1cc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)ccc1OC

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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 C22H25NO5S MW 415.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5S/c1-26-16-11-9-14(13-17(16)27-2)10-12-19(24)23-21-20(22(25)28-3)15-7-5-4-6-8-18(15)29-21/h9-13H,4-8H2,1-3H3,(H,23,24)/b12-10+
InChIKey
NDDBHCIMTBCSLY-ZRDIBKRKSA-N
Synonyms
352682-46-3
(E)methyl2(3(34dimethoxyphenyl)acrylamido)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
352682463
COC1=C(C=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC)OC
COc1cc(C=CC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)ccc1OC
InChI=1SC22H25NO5Sc1261611914(1317(16)272)101219(24)232120(22(25)283)157546818(15)2921h913H48H213H3(H2324)b1210+
methyl2(((2E)3(34dimethoxyphenyl)prop2enoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(((E)3(34dimethoxyphenyl)prop2enoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01353003
ZINC000000996307
ZINC00996307
ZINC996307

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Available files

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