Vitas-M small molecule compound

2-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

Catalog ID
STL332869
SMILES O=C(NC(=S)Nc1sc2c(c1C(=O)N)CCCCCC2)/C=C/c1ccco1

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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 C19H21N3O3S2 MW 403.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O3S2/c20-17(24)16-13-7-3-1-2-4-8-14(13)27-18(16)22-19(26)21-15(23)10-9-12-6-5-11-25-12/h5-6,9-11H,1-4,7-8H2,(H2,20,24)(H2,21,22,23,26)/b10-9+
InChIKey
HRVPUUMAZBUOTB-MDZDMXLPSA-N
Synonyms
370582-48-2
(E)2(3(3(furan2yl)acryloyl)thioureido)456789hexahydrocycloocta(b)thiophene3carboxamide
2((((2E)3(furan2yl)prop2enoyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
2(((E)3(furan2yl)prop2enoyl)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxamide
370582482
C1CCCC2=C(CC1)C(=C(S2)NC(=S)NC(=O)C=CC3=CC=CO3)C(=O)N
InChI=1SC19H21N3O3S2c2017(24)161373124814(13)2718(16)2219(26)2115(23)1091265112512h56911H1478H2(H22024)(H221222326)b109+
MFCD01994060
O=C(NC(=S)Nc1sc2c(c1C(=O)N)CCCCCC2)C=Cc1ccco1
ZINC000002316737
ZINC02316737
ZINC2316737

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Available files

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