Vitas-M small molecule compound
N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazole-3-carboxamide
Catalog ID
STK317019
SMILES Cc1ccc2c(c1)sc(n2)NC(=O)c1nn(cc1[N+](=O)[O-])C12CC3CC(C2)CC(C1)C3
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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 C22H23N5O3S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O3S/c1-12-2-3-16-18(4-12)31-21(23-16)24-20(28)19-17(27(29)30)11-26(25-19)22-8-13-5-14(9-22)7-15(6-13)10-22/h2-4,11,13-15H,5-10H2,1H3,(H,23,24,28)InChIKey
PMBHTTNTQPXALO-UHFFFAOYSA-NSynonyms
515177-28-31(1ADAMANTYL)N(6METHYL13BENZOTHIAZOL2YL)4NITROPYRAZOLE3CARBOXAMIDE
515177283
CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=C3(N+)(=O)(O))C45CC6CC(C4)CC(C6)C5
Cc1ccc2c(c1)sc(n2)NC(=O)c1nn(cc1(N+)(=O)(O))C12CC3CC(C2)CC(C1)C3
InChI=1SC22H23N5O3Sc112231618(412)3121(2316)2420(28)1917(27(29)30)1126(2519)22813514(922)715(613)1022h24111315H510H21H3(H232428)
MFCD03758615
N(6methyl13benzothiazol2yl)4nitro1(tricyclo(3311~37~)dec1yl)1Hpyrazole3carboxamide
ZINC000012649469
ZINC12649469
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