Vitas-M small molecule compound
N-(2,6-diethylphenyl)-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
STK437404
SMILES CCc1cccc(c1NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccncc1)CCCC3)CC
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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 C28H30N4O2S2 MW 518.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O2S2/c1-3-19-8-7-9-20(4-2)25(19)30-23(33)17-35-28-31-26-24(21-10-5-6-11-22(21)36-26)27(34)32(28)16-18-12-14-29-15-13-18/h7-9,12-15H,3-6,10-11,16-17H2,1-2H3,(H,30,33)InChIKey
NQPXIFGJPZKWPG-UHFFFAOYSA-NSynonyms
CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=NC=C5
InChI=1SC28H30N4O2S2c131987920(42)25(19)3023(33)173528312624(2110561122(21)3626)27(34)32(28)1618121429151318h791215H3610111617H212H3(H3033)
MFCD03945021
N(26diethylphenyl)2((4oxo3(pyridin4ylmethyl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(26diethylphenyl)2((4oxo3(pyridin4ylmethyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000020213409
ZINC20213409
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