Vitas-M small molecule compound
N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK230457
SMILES O=C(NCc1ccccc1)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 C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c1-26-18(11-23-20(28)15-7-8-16-17(9-15)30-13-29-16)24-25-21(26)31-12-19(27)22-10-14-5-3-2-4-6-14/h2-9H,10-13H2,1H3,(H,22,27)(H,23,28)InChIKey
MNZWAHQKLYGJSI-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H21N5O4Sc12618(112320(28)15781617(915)30132916)242521(26)311219(27)2210145324614h29H1013H21H3(H2227)(H2328)
MFCD07792032
N((5((2(BENZYLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5(2(BENZYLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000009263802
ZINC09263802
ZINC9263802
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