Vitas-M small molecule compound
methyl 3-chloro-6-[({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}carbonothioyl)amino]-1-benzothiophene-2-carboxylate
Catalog ID
STK457603
SMILES COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=S)N1CCN(CC1)C/C=C/c1ccccc1
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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 C24H24ClN3O2S2 MW 486.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24ClN3O2S2/c1-30-23(29)22-21(25)19-10-9-18(16-20(19)32-22)26-24(31)28-14-12-27(13-15-28)11-5-8-17-6-3-2-4-7-17/h2-10,16H,11-15H2,1H3,(H,26,31)/b8-5+InChIKey
NWIIFMMXDJZISN-VMPITWQZSA-NSynonyms
COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCN(CC3)CC=CC4=CC=CC=C4)Cl
COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=S)N1CCN(CC1)CC=Cc1ccccc1
InChI=1SC24H24ClN3O2S2c13023(29)2221(25)1910918(1620(19)3222)2624(31)28141227(131528)1158176324717h21016H1115H21H3(H2631)b85+
methyl3chloro6(((4((2E)3phenylprop2en1yl)piperazin1yl)carbonothioyl)amino)1benzothiophene2carboxylate
METHYL3CHLORO6((4((E)3PHENYLPROP2ENYL)PIPERAZINE1CARBOTHIOYL)AMINO)1BENZOTHIOPHENE2CARBOXYLATE
METHYL6(((4((2E)3PHENYLPROP2ENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)3CHLOROBENZO(B)THIOPHENE2CARBOXYLATE
MFCD04136931
ZINC000016345470
ZINC16345470
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