Vitas-M small molecule compound
N-(2,3-dimethylphenyl)-2-{[4-oxo-3-(pyridin-4-ylmethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STK437401
SMILES O=C(Nc1cccc(c1C)C)CSc1nc2sc3c(c2c(=O)n1Cc1ccncc1)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 C26H26N4O2S2 MW 490.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O2S2/c1-16-6-5-8-20(17(16)2)28-22(31)15-33-26-29-24-23(19-7-3-4-9-21(19)34-24)25(32)30(26)14-18-10-12-27-13-11-18/h5-6,8,10-13H,3-4,7,9,14-15H2,1-2H3,(H,28,31)InChIKey
CSTYPHSIFCXCCA-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=NC=C5)C
InChI=1SC26H26N4O2S2c11665820(17(16)2)2822(31)153326292423(19734921(19)3424)25(32)30(26)1418101227131118h5681013H34791415H212H3(H2831)
MFCD03945017
N(23dimethylphenyl)2((4oxo3(pyridin4ylmethyl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(23dimethylphenyl)2((4oxo3(pyridin4ylmethyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000020417823
ZINC20417823
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