Vitas-M small molecule compound
methyl 9-methyl-2-{1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazol-3-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL394143
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccn(n1)Cn1cnc(n1)[N+](=O)[O-]
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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 C16H12N10O4S MW 440.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N10O4S/c1-8-10-13-19-12(21-25(13)6-17-14(10)31-11(8)15(27)30-2)9-3-4-23(20-9)7-24-5-18-16(22-24)26(28)29/h3-6H,7H2,1-2H3InChIKey
PSZYENMLKYSBEC-UHFFFAOYSA-NSynonyms
1005637-14-81005637148
CC1=C(SC2=C1C3=NC(=NN3C=N2)C4=NN(C=C4)CN5C=NC(=N5)(N+)(=O)(O))C(=O)OC
COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccn(n1)Cn1cnc(n1)(N+)(=O)(O)
InChI=1SC16H12N10O4Sc1810131912(2125(13)61714(10)3111(8)15(27)302)93423(209)72451816(2224)26(28)29h36H7H212H3
METHYL9METHYL2(1((3NITRO1H124TRIAZOL1YL)METHYL)1HPYRAZOL3YL)THIENO(32E)(124)TRIAZOLO(15C)PYRIMIDINE8CARBOXYLATE
MFCD04134692
ZINC000002804007
ZINC02804007
ZINC2804007
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