Vitas-M small molecule compound
3-(1,3-dioxolan-2-yl)-4-[(2-methylpropyl)sulfanyl]-6-nitro-1-phenyl-1H-indazole
Catalog ID
STK767908
SMILES CC(CSc1cc(cc2c1c(nn2c1ccccc1)C1OCCO1)[N+](=O)[O-])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 C20H21N3O4S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S/c1-13(2)12-28-17-11-15(23(24)25)10-16-18(17)19(20-26-8-9-27-20)21-22(16)14-6-4-3-5-7-14/h3-7,10-11,13,20H,8-9,12H2,1-2H3InChIKey
UMUNTHXWAXUQCB-UHFFFAOYSA-NSynonyms
3(13dioxolan2yl)4((2methylpropyl)sulfanyl)6nitro1phenyl1Hindazole
3(13DIOXOLAN2YL)4(2METHYLPROPYLSULFANYL)6NITRO1PHENYLINDAZOLE
CC(C)CSC1=C2C(=CC(=C1)(N+)(=O)(O))N(N=C2C3OCCO3)C4=CC=CC=C4
CC(CSc1cc(cc2c1c(nn2c1ccccc1)C1OCCO1)(N+)(=O)(O))C
InChI=1SC20H21N3O4Sc113(2)1228171115(23(24)25)101618(17)19(2026892720)2122(16)146435714h3710111320H8912H212H3
MFCD03133453
ZINC000001070678
ZINC01070678
ZINC1070678
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