Vitas-M small molecule compound
methyl 2-(2,5-dimethyl-3-{(Z)-[1-methyl-5-(morpholin-4-ylsulfonyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]methyl}-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL441600
SMILES COC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C\1/c2cc(ccc2N(C1=O)C)S(=O)(=O)N1CCOCC1
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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 C30H33N3O6S2 MW 595.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O6S2/c1-18-15-20(19(2)33(18)29-27(30(35)38-4)22-7-5-6-8-26(22)40-29)16-24-23-17-21(9-10-25(23)31(3)28(24)34)41(36,37)32-11-13-39-14-12-32/h9-10,15-17H,5-8,11-14H2,1-4H3/b24-16-InChIKey
MCAHHXAYYMXNPJ-JLPGSUDCSA-NSynonyms
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)OC)C)C=C4C5=C(C=CC(=C5)S(=O)(=O)N6CCOCC6)N(C4=O)C
COC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1c2cc(ccc2N(C1=O)C)S(=O)(=O)N1CCOCC1
InChI=1SC30H33N3O6S2c1181520(19(2)33(18)2927(30(35)384)22756826(22)4029)1624231721(91025(23)31(3)28(24)34)41(3637)32111339141232h9101517H581114H214H3b2416
methyl2(25dimethyl3((Z)(1methyl5(morpholin4ylsulfonyl)2oxo12dihydro3Hindol3ylidene)methyl)1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(25dimethyl3((Z)(1methyl5morpholin4ylsulfonyl2oxoindol3ylidene)methyl)pyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
MFCD05132907
ZINC000101378588
ZINC101378588
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.