Vitas-M small molecule compound
propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate
Catalog ID
STK759660
SMILES CC(OC(=O)c1nnn(c1CSc1nc2c(o1)cccc2)c1nonc1N)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 C16H15N7O4S MW 401.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N7O4S/c1-8(2)25-15(24)12-10(23(22-19-12)14-13(17)20-27-21-14)7-28-16-18-9-5-3-4-6-11(9)26-16/h3-6,8H,7H2,1-2H3,(H2,17,20)InChIKey
FUMOFJNRKIYBNN-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NC4=CC=CC=C4O3
InChI=1SC16H15N7O4Sc18(2)2515(24)1210(23(221912)1413(17)20272114)72816189534611(9)2616h368H7H212H3(H21720)
METHYLETHYL1(4AMINO(125OXADIAZOL3YL))5(BENZOXAZOL2YLTHIOMETHYL)123TRIAZOLE4CARBOXYLATE
MFCD01572430
propan2yl1(4amino125oxadiazol3yl)5((13benzoxazol2ylsulfanyl)methyl)1H123triazole4carboxylate
PROPAN2YL1(4AMINO125OXADIAZOL3YL)5(13BENZOXAZOL2YLSULFANYLMETHYL)TRIAZOLE4CARBOXYLATE
ZINC000008856309
ZINC08856309
ZINC8856309
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