Vitas-M small molecule compound
N-(3-nitrophenyl)-2-{[4-(propan-2-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK493667
SMILES O=C(Nc1cccc(c1)[N+](=O)[O-])CSc1nnc(n1C(C)C)c1csc2c1CCCC2
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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 C21H23N5O3S2 MW 457.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3S2/c1-13(2)25-20(17-11-30-18-9-4-3-8-16(17)18)23-24-21(25)31-12-19(27)22-14-6-5-7-15(10-14)26(28)29/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,22,27)InChIKey
XAGVBDKFNGMZDB-UHFFFAOYSA-NSynonyms
CC(C)N1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)(N+)(=O)(O))C3=CSC4=C3CCCC4
InChI=1SC21H23N5O3S2c113(2)2520(17113018943816(17)18)232421(25)311219(27)221465715(1014)26(28)29h57101113H348912H212H3(H2227)
MFCD06121413
N(3nitrophenyl)2((4(propan2yl)5(4567tetrahydro1benzothiophen3yl)4H124triazol3yl)sulfanyl)acetamide
N(3nitrophenyl)2((4propan2yl5(4567tetrahydro1benzothiophen3yl)124triazol3yl)sulfanyl)acetamide
O=C(Nc1cccc(c1)(N+)(=O)(O))CSc1nnc(n1C(C)C)c1csc2c1CCCC2
ZINC000014053746
ZINC14053746
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