Vitas-M small molecule compound
methyl 3-chloro-6-({[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)-1-benzothiophene-2-carboxylate
Catalog ID
STK457601
SMILES COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=S)N1CCN(CC1)C(=O)c1ccco1
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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 C20H18ClN3O4S2 MW 463.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O4S2/c1-27-19(26)17-16(21)13-5-4-12(11-15(13)30-17)22-20(29)24-8-6-23(7-9-24)18(25)14-3-2-10-28-14/h2-5,10-11H,6-9H2,1H3,(H,22,29)InChIKey
SJNBHZISBJQRET-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCN(CC3)C(=O)C4=CC=CO4)Cl
InChI=1SC20H18ClN3O4S2c12719(26)1716(21)135412(1115(13)3017)2220(29)248623(7924)18(25)1432102814h251011H69H21H3(H2229)
METHYL3CHLORO6(((4(2FURYLCARBONYL)PIPERAZINYL)THIOXOMETHYL)AMINO)BENZO(B)THIOPHENE2CARBOXYLATE
methyl3chloro6(((4(furan2ylcarbonyl)piperazin1yl)carbonothioyl)amino)1benzothiophene2carboxylate
METHYL3CHLORO6((4(FURAN2CARBONYL)PIPERAZINE1CARBOTHIOYL)AMINO)1BENZOTHIOPHENE2CARBOXYLATE
MFCD04137181
ZINC000002858107
ZINC02858107
ZINC2858107
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