Vitas-M small molecule compound

N-{4-[5-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]phenyl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STL481855
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C)nnc1c1ccc(cc1)NC(=O)c1csc2c1CCCC2

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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 C29H29N5O2S2 MW 543.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O2S2/c1-3-15-34-27(32-33-29(34)38-18-26(35)30-22-8-6-7-19(2)16-22)20-11-13-21(14-12-20)31-28(36)24-17-37-25-10-5-4-9-23(24)25/h3,6-8,11-14,16-17H,1,4-5,9-10,15,18H2,2H3,(H,30,35)(H,31,36)
InChIKey
SESWOFSDIVYTIR-UHFFFAOYSA-N
Synonyms

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)NC(=O)C4=CSC5=C4CCCC5
InChI=1SC29H29N5O2S2c13153427(323329(34)381826(35)302286719(2)1622)20111321(141220)3128(36)241737251054923(24)25h36811141617H1459101518H22H3(H3035)(H3136)
MFCD05827269
N(4(5((2((3methylphenyl)amino)2oxoethyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)phenyl)4567tetrahydro1benzothiophene3carboxamide
N(4(5(2(3methylanilino)2oxoethyl)sulfanyl4prop2enyl124triazol3yl)phenyl)4567tetrahydro1benzothiophene3carboxamide
ZINC000003764216
ZINC3764216

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Available files

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