Vitas-M small molecule compound
N-[(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK115870
SMILES O=C(Nc1ccccc1)CSc1nnc(n1C)CNC(=O)c1ccc2c(c1)OCO2
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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 C20H19N5O4S MW 425.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O4S/c1-25-17(10-21-19(27)13-7-8-15-16(9-13)29-12-28-15)23-24-20(25)30-11-18(26)22-14-5-3-2-4-6-14/h2-9H,10-12H2,1H3,(H,21,27)(H,22,26)InChIKey
PTWIVOVJZXDDOB-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC20H19N5O4Sc12517(102119(27)13781516(913)29122815)232420(25)301118(26)22145324614h29H1012H21H3(H2127)(H2226)
MFCD04128216
N((4METHYL5((2OXO2(PHENYLAMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5((2ANILINO2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5(2ANILINO2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000000687550
ZINC00687550
ZINC687550
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