Vitas-M small molecule compound
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Catalog ID
STK751875
SMILES O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)CSc1nc2c(s1)cc(cc2)[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 C20H17N5O4S2 MW 455.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O4S2/c1-12-18(19(27)24(23(12)2)13-6-4-3-5-7-13)22-17(26)11-30-20-21-15-9-8-14(25(28)29)10-16(15)31-20/h3-10H,11H2,1-2H3,(H,22,26)InChIKey
VUEJRVVLBHDIHZ-UHFFFAOYSA-NSynonyms
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)(N+)(=O)(O)
InChI=1SC20H17N5O4S2c11218(19(27)24(23(12)2)136435713)2217(26)11302021159814(25(28)29)1016(15)3120h310H11H212H3(H2226)
MFCD00502870
N(15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)2((6NITRO13BENZOTHIAZOL2YL)SULFANYL)ACETAMIDE
N(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2((6nitrobenzo(d)thiazol2yl)thio)acetamide
N(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)2((6NITRO13BENZOTHIAZOL2YL)SULFANYL)ACETAMIDE
O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)CSc1nc2c(s1)cc(cc2)(N+)(=O)(O)
ZINC000002355817
ZINC02355817
ZINC2355817
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