Vitas-M small molecule compound
ethyl 2-({N-[(3,4-dimethoxyphenyl)sulfonyl]-N-(4-ethoxyphenyl)glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK172526
SMILES CCOc1ccc(cc1)N(S(=O)(=O)c1ccc(c(c1)OC)OC)CC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2
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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 C29H34N2O8S2 MW 602.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O8S2/c1-5-38-20-13-11-19(12-14-20)31(41(34,35)21-15-16-23(36-3)24(17-21)37-4)18-26(32)30-28-27(29(33)39-6-2)22-9-7-8-10-25(22)40-28/h11-17H,5-10,18H2,1-4H3,(H,30,32)InChIKey
KXTOZTNMXSDJJB-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)S(=O)(=O)C4=CC(=C(C=C4)OC)OC
ethyl2((2(N(34dimethoxyphenyl)sulfonyl4ethoxyanilino)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((N((34dimethoxyphenyl)sulfonyl)N(4ethoxyphenyl)glycyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H34N2O8S2c153820131119(121420)31(41(3435)21151623(363)24(1721)374)1826(32)302827(29(33)3962)229781025(22)4028h1117H51018H214H3(H3032)
MFCD03862726
ZINC000008430094
ZINC08430094
ZINC8430094
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