Vitas-M small molecule compound

(2E)-3-(1,3-benzodioxol-5-yl)-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}prop-2-enamide

Catalog ID
STK099408
SMILES O=C(Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])/C=C/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 C19H13N3O7S2 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O7S2/c23-17(8-2-12-1-7-15-16(9-12)29-11-28-15)21-19-20-10-18(30-19)31(26,27)14-5-3-13(4-6-14)22(24)25/h1-10H,11H2,(H,20,21,23)/b8-2+
InChIKey
VOAOPSMHEZNZMN-KRXBUXKQSA-N
Synonyms
349541-67-9
(2E)3(13BENZODIOXOL5YL)N(5((4NITROPHENYL)SULFONYL)13THIAZOL2YL)PROP2ENAMIDE
(2E)3(2HBENZO(34D)13DIOXOLEN5YL)N(5((4NITROPHENYL)SULFONYL)(13THIAZOL2YL))PROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(5(4NITROPHENYL)SULFONYL13THIAZOL2YL)PROP2ENAMIDE
(E)3(benzo(d)(13)dioxol5yl)N(5((4nitrophenyl)sulfonyl)thiazol2yl)acrylamide
349541679
C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC19H13N3O7S2c2317(8212171516(912)29112815)2119201018(3019)31(2627)145313(4614)22(24)25h110H11H2(H202123)b82+
MFCD02603930
O=C(Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)(N+)(=O)(O))C=Cc1ccc2c(c1)OCO2
STK099408
ZINC000002310728
ZINC02310728
ZINC2310728

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.