Vitas-M small molecule compound
4-[({[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK554839
SMILES O=C(Nc1ccc(cc1)C(=O)O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3
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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 C26H23N3O4S2 MW 505.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O4S2/c1-15-6-12-18(13-7-15)29-24(31)22-19-4-2-3-5-20(19)35-23(22)28-26(29)34-14-21(30)27-17-10-8-16(9-11-17)25(32)33/h6-13H,2-5,14H2,1H3,(H,27,30)(H,32,33)InChIKey
FDFWOBHLGKAEOA-UHFFFAOYSA-NSynonyms
765905-57-54((((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoicacid
4((2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoicacid
4(2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamido)benzoicacid
765905575
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)O)SC5=C3CCCC5
InChI=1SC26H23N3O4S2c11561218(13715)2924(31)2219423520(19)3523(22)2826(29)341421(30)271710816(91117)25(32)33h613H2514H21H3(H2730)(H3233)
MFCD03474280
ZINC000002264165
ZINC2264165
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