Vitas-M small molecule compound
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL192694
SMILES CSc1cccc(c1)NC(=O)Cn1nnc(c1N)C(=O)NCc1ccc2c(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 C20H20N6O4S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N6O4S/c1-31-14-4-2-3-13(8-14)23-17(27)10-26-19(21)18(24-25-26)20(28)22-9-12-5-6-15-16(7-12)30-11-29-15/h2-8H,9-11,21H2,1H3,(H,22,28)(H,23,27)InChIKey
DRUFJOKJCBQXIC-UHFFFAOYSA-NSynonyms
5aminoN(13benzodioxol5ylmethyl)1(2((3(methylsulfanyl)phenyl)amino)2oxoethyl)1H123triazole4carboxamide
5aminoN(13benzodioxol5ylmethyl)1(2(3methylsulfanylanilino)2oxoethyl)triazole4carboxamide
CSC1=CC=CC(=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N
InChI=1SC20H20N6O4Sc1311442313(814)2317(27)102619(21)18(242526)20(28)22912561516(712)30112915h28H91121H21H3(H2228)(H2327)
MFCD14927976
ZINC000020575010
ZINC20575010
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