Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-({4-methyl-5-[2-oxo-2-(phenylamino)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamide
Catalog ID
STK230549
SMILES O=C(Cc1nnc(n1C)SC(C(=O)Nc1ccc2c(c1)OCO2)C)Nc1ccccc1
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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 C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c1-13(20(28)23-15-8-9-16-17(10-15)30-12-29-16)31-21-25-24-18(26(21)2)11-19(27)22-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,27)(H,23,28)InChIKey
XRSYWBVUSKVTIW-UHFFFAOYSA-NSynonyms
2((5(2ANILINO2OXOETHYL)4METHYL124TRIAZOL3YL)SULFANYL)N(13BENZODIOXOL5YL)PROPANAMIDE
CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3C)CC(=O)NC4=CC=CC=C4
InChI=1SC21H21N5O4Sc113(20(28)2315891617(1015)30122916)3121252418(26(21)2)1119(27)22146435714h31013H1112H212H3(H2227)(H2328)
MFCD07790723
N(13BENZODIOXOL5YL)2((4METHYL5(2OXO2(PHENYLAMINO)ETHYL)4H124TRIAZOL3YL)SULFANYL)PROPANAMIDE
ZINC000009264029
ZINC000009264030
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