Vitas-M small molecule compound
propan-2-yl 2-[({[6-methyl-4-oxo-3-(pyridin-3-ylmethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK437399
SMILES CC(OC(=O)c1c(NC(=O)CSc2nc3sc(cc3c(=O)n2Cc2cccnc2)C)sc2c1CCCC2)C
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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 C27H28N4O4S3 MW 568.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O4S3/c1-15(2)35-26(34)22-18-8-4-5-9-20(18)38-24(22)29-21(32)14-36-27-30-23-19(11-16(3)37-23)25(33)31(27)13-17-7-6-10-28-12-17/h6-7,10-12,15H,4-5,8-9,13-14H2,1-3H3,(H,29,32)InChIKey
ZRYMFJARUMCUBZ-UHFFFAOYSA-NSynonyms
CC1=CC2=C(S1)N=C(N(C2=O)CC3=CN=CC=C3)SCC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C
InChI=1SC27H28N4O4S3c115(2)3526(34)2218845920(18)3824(22)2921(32)143627302319(1116(3)3723)25(33)31(27)13177610281217h67101215H45891314H213H3(H2932)
MFCD03945012
propan2yl2((((6methyl4oxo3(pyridin3ylmethyl)34dihydrothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2(6methyl4oxo3(pyridin3ylmethyl)thieno(23d)pyrimidin2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000097948424
ZINC97948424
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