Vitas-M small molecule compound
(2E)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-[3-nitro-4-(pyrrolidin-1-yl)phenyl]prop-2-enoic acid
Catalog ID
STK131750
SMILES OC(=O)/C(=C\c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)/Sc1nnc([nH]1)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 C16H17N5O4S MW 375.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O4S/c1-10-17-16(19-18-10)26-14(15(22)23)9-11-4-5-12(13(8-11)21(24)25)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H,22,23)(H,17,18,19)/b14-9+InChIKey
COOSSJBBLUDZMC-NTEUORMPSA-NSynonyms
(2E)2((5METHYL4H124TRIAZOL3YL)SULFANYL)3(3NITRO4(PYRROLIDIN1YL)PHENYL)PROP2ENOICACID
(E)2((5METHYL1H124TRIAZOL3YL)SULFANYL)3(3NITRO4PYRROLIDIN1YLPHENYL)PROP2ENOICACID
CC1=NC(=NN1)SC(=CC2=CC(=C(C=C2)N3CCCC3)(N+)(=O)(O))C(=O)O
InChI=1SC16H17N5O4Sc1101716(191810)2614(15(22)23)9114512(13(811)21(24)25)20623720h4589H2367H21H3(H2223)(H171819)b149+
MFCD04327133
OC(=O)C(=Cc1ccc(c(c1)(N+)(=O)(O))N1CCCC1)Sc1nnc((nH)1)C
ZINC000004677137
ZINC4677137
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