Vitas-M small molecule compound
propan-2-yl 2-{[(3-chloro-6-fluoro-1-benzothiophen-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Catalog ID
STK446014
SMILES CC(OC(=O)c1c(sc2c1CCCCCCCCCC2)NC(=O)c1sc2c(c1Cl)ccc(c2)F)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 C27H31ClFNO3S2 MW 536.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31ClFNO3S2/c1-16(2)33-27(32)22-18-11-9-7-5-3-4-6-8-10-12-20(18)35-26(22)30-25(31)24-23(28)19-14-13-17(29)15-21(19)34-24/h13-16H,3-12H2,1-2H3,(H,30,31)InChIKey
SIKBCWLDGUUDBQ-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl
InChI=1SC27H31ClFNO3S2c116(2)3327(32)2218119753468101220(18)3526(22)3025(31)2423(28)19141317(29)1521(19)3424h1316H312H212H3(H3031)
MFCD02055912
propan2yl2(((3chloro6fluoro1benzothiophen2yl)carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
propan2yl2((3chloro6fluoro1benzothiophene2carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
ZINC000097945754
ZINC97945754
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