Vitas-M small molecule compound
2-{[5-(3-chloro-4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxy-2-nitrophenyl)acetamide
Catalog ID
STK202422
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2[N+](=O)[O-])OC)nnc1c1ccc(c(c1)Cl)C
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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 C21H20ClN5O4S MW 473.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O4S/c1-4-9-26-20(14-6-5-13(2)16(22)10-14)24-25-21(26)32-12-19(28)23-17-8-7-15(31-3)11-18(17)27(29)30/h4-8,10-11H,1,9,12H2,2-3H3,(H,23,28)InChIKey
XEKQCPNOJSICMA-UHFFFAOYSA-NSynonyms
2((5(3CHLORO4METHYLPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)N(4METHOXY2NITROPHENYL)ACETAMIDE
2((5(3CHLORO4METHYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(4METHOXY2NITROPHENYL)ACETAMIDE
C=CCn1c(SCC(=O)Nc2ccc(cc2(N+)(=O)(O))OC)nnc1c1ccc(c(c1)Cl)C
CC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=C3)OC)(N+)(=O)(O))Cl
InChI=1SC21H20ClN5O4Sc1492620(146513(2)16(22)1014)242521(26)321219(28)23178715(313)1118(17)27(29)30h481011H1912H223H3(H2328)
MFCD04380594
ZINC000009970938
ZINC09970938
ZINC9970938
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