Vitas-M small molecule compound
4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide
Catalog ID
STK491201
SMILES CCOc1ccc(cc1)NC(=S)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]
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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 C22H21ClN4O4S2 MW 505.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O4S2/c1-2-31-16-6-3-14(4-7-16)24-22(32)26-11-9-25(10-12-26)21(28)20-19(23)17-8-5-15(27(29)30)13-18(17)33-20/h3-8,13H,2,9-12H2,1H3,(H,24,32)InChIKey
ORIOQEVTSGDKST-UHFFFAOYSA-NSynonyms
3CHLORO6NITROBENZO(B)THIOPHEN2YL4(((4ETHOXYPHENYL)AMINO)THIOXOMETHYL)PIPERAZINYLKETONE
4((3chloro6nitro1benzothiophen2yl)carbonyl)N(4ethoxyphenyl)piperazine1carbothioamide
4(3chloro6nitro1benzothiophene2carbonyl)N(4ethoxyphenyl)piperazine1carbothioamide
CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)(N+)(=O)(O))Cl
CCOc1ccc(cc1)NC(=S)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O)
InChI=1SC22H21ClN4O4S2c1231166314(4716)2422(32)2611925(101226)21(28)2019(23)178515(27(29)30)1318(17)3320h3813H2912H21H3(H2432)
MFCD06039670
ZINC000013784363
ZINC13784363
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