Vitas-M small molecule compound
2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[(2Z)-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]propanamide
Catalog ID
STL157763
SMILES O=C(C(n1nnc2c(c1=O)cccc2)C)/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 C17H17N5O2S MW 355.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O2S/c1-10(22-16(24)11-6-2-3-7-12(11)20-21-22)15(23)19-17-18-13-8-4-5-9-14(13)25-17/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,18,19,23)InChIKey
LAIIHCTYIMJQHT-UHFFFAOYSA-NSynonyms
2(4oxo123benzotriazin3(4H)yl)N((2Z)4567tetrahydro13benzothiazol2(3H)ylidene)propanamide
2(4oxo123benzotriazin3yl)N(4567tetrahydro13benzothiazol2yl)propanamide
CC(C(=O)NC1=NC2=C(S1)CCCC2)N3C(=O)C4=CC=CC=C4N=N3
InChI=1SC17H17N5O2Sc110(2216(24)11623712(11)202122)15(23)19171813845914(13)2517h236710H4589H21H3(H181923)
MFCD20758114
O=C(C(n1nnc2c(c1=O)cccc2)C)N=c1sc2c((nH)1)CCCC2
ZINC000044450409
ZINC000044450410
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