Vitas-M small molecule compound

N-[2-methyl-1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)propyl]-1,3-benzodioxole-5-carboxamide

Catalog ID
STK245773
SMILES O=C(c1cccc(c1)[N+](=O)[O-])CSc1nnc(n1C)C(C(C)C)NC(=O)c1ccc2c(c1)OCO2

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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 C23H23N5O6S MW 497.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O6S/c1-13(2)20(24-22(30)15-7-8-18-19(10-15)34-12-33-18)21-25-26-23(27(21)3)35-11-17(29)14-5-4-6-16(9-14)28(31)32/h4-10,13,20H,11-12H2,1-3H3,(H,24,30)
InChIKey
XFSMUOFBZSDDGX-UHFFFAOYSA-N
Synonyms

BENZO(13)DIOXOLE5CARBOXYLICACID(2METHYL1(4METHYL5(2(3NITROPHENYL)2OXOETHYLSULFANYL)4H(124)TRIAZOL3YL)PROPYL)AMIDE
CC(C)C(C1=NN=C(N1C)SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC23H23N5O6Sc113(2)20(2422(30)15781819(1015)34123318)21252623(27(21)3)351117(29)1454616(914)28(31)32h4101320H1112H213H3(H2430)
MFCD08670489
N(2METHYL1(4METHYL5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)PROPYL)13BENZODIOXOLE5CARBOXAMIDE
N(2methyl1(4methyl5(2(3nitrophenyl)2oxoethyl)sulfanyl124triazol3yl)propyl)13benzodioxole5carboxamide
O=C(c1cccc(c1)(N+)(=O)(O))CSc1nnc(n1C)C(C(C)C)NC(=O)c1ccc2c(c1)OCO2
ZINC000009328080
ZINC000009328081

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Available files

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