Vitas-M small molecule compound
4-chloro-N-{[5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK219198
SMILES C=CCn1c(CNC(=O)c2ccc(cc2)Cl)nnc1SCC(=O)c1cccc(c1)[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 C21H18ClN5O4S MW 471.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN5O4S/c1-2-10-26-19(12-23-20(29)14-6-8-16(22)9-7-14)24-25-21(26)32-13-18(28)15-4-3-5-17(11-15)27(30)31/h2-9,11H,1,10,12-13H2,(H,23,29)InChIKey
MTOOLXXEZVRMLB-UHFFFAOYSA-NSynonyms
4CHLORON((5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4CHLORON((5(2(3NITROPHENYL)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)BENZAMIDE
C=CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))CNC(=O)C3=CC=C(C=C3)Cl
C=CCn1c(CNC(=O)c2ccc(cc2)Cl)nnc1SCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H18ClN5O4Sc12102619(122320(29)146816(22)9714)242521(26)321318(28)1543517(1115)27(30)31h2911H1101213H2(H2329)
MFCD06007244
ZINC000001066149
ZINC01066149
ZINC1066149
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