Vitas-M small molecule compound
2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Catalog ID
STK654649
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)c1CCCCc1s2
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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 C26H24N4O5S2 MW 536.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O5S2/c1-2-35-19-13-11-17(12-14-19)29-25(32)23-20-5-3-4-6-21(20)37-24(23)28-26(29)36-15-22(31)27-16-7-9-18(10-8-16)30(33)34/h7-14H,2-6,15H2,1H3,(H,27,31)InChIKey
KTBJFJCCLKKWMV-UHFFFAOYSA-NSynonyms
489403-85-22((3(4ethoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(4nitrophenyl)acetamide
2((3(4ethoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(4nitrophenyl)acetamide
2((3(4ethoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(4nitrophenyl)acetamide
489403852
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)(N+)(=O)(O))SC5=C3CCCC5
CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)(N+)(=O)(O))nc2c(c1=O)c1CCCCc1s2
InChI=1SC26H24N4O5S2c123519131117(121419)2925(32)2320534621(20)3724(23)2826(29)361522(31)27167918(10816)30(33)34h714H2615H21H3(H2731)
MFCD03296089
ZINC000097951587
ZINC97951587
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