Vitas-M small molecule compound
N-{3-[(2E)-1,3-benzothiazol-2(3H)-ylideneamino]-3-oxopropyl}-5,6,7-trimethoxy-1H-indole-2-carboxamide
Catalog ID
STK633987
SMILES COc1cc2cc([nH]c2c(c1OC)OC)C(=O)NCCC(=O)/N=c\1/sc2c([nH]1)cccc2
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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 C22H22N4O5S MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O5S/c1-29-15-11-12-10-14(24-18(12)20(31-3)19(15)30-2)21(28)23-9-8-17(27)26-22-25-13-6-4-5-7-16(13)32-22/h4-7,10-11,24H,8-9H2,1-3H3,(H,23,28)(H,25,26,27)InChIKey
NNDQVCWBKZBPTR-UHFFFAOYSA-NSynonyms
951937-63-6951937636
COC1=C(C(=C2C(=C1)C=C(N2)C(=O)NCCC(=O)NC3=NC4=CC=CC=C4S3)OC)OC
COc1cc2cc((nH)c2c(c1OC)OC)C(=O)NCCC(=O)N=c1sc2c((nH)1)cccc2
InChI=1SC22H22N4O5Sc1291511121014(2418(12)20(313)19(15)302)21(28)239817(27)26222513645716(13)3222h47101124H89H213H3(H2328)(H252627)
MFCD18160263
N(3((2E)13benzothiazol2(3H)ylideneamino)3oxopropyl)567trimethoxy1Hindole2carboxamide
ZINC000013720962
ZINC13720962
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