Vitas-M small molecule compound
2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Catalog ID
STL294495
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)Oc2ccccc2)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 C27H25N3O3S2 MW 503.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O3S2/c1-2-16-30-26(32)24-21-10-6-7-11-22(21)35-25(24)29-27(30)34-17-23(31)28-18-12-14-20(15-13-18)33-19-8-4-3-5-9-19/h2-5,8-9,12-15H,1,6-7,10-11,16-17H2,(H,28,31)InChIKey
IVGGBACIQFVGPP-UHFFFAOYSA-NSynonyms
840499-15-22((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(4phenoxyphenyl)acetamide
2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(4phenoxyphenyl)acetamide
2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(4phenoxyphenyl)acetamide
840499152
C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)SC5=C2CCCC5
InChI=1SC27H25N3O3S2c12163026(32)242110671122(21)3525(24)2927(30)341723(31)2818121420(151318)33198435919h25891215H16710111617H2(H2831)
MFCD04008786
ZINC000013751876
ZINC13751876
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